Vitas-M small molecule compound
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STL065229
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccsc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26O4S MW 374.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O4S/c1-20(2)7-13(22)18(14(23)8-20)17(12-5-6-26-11-12)19-15(24)9-21(3,4)10-16(19)25/h5-6,11,17-18,24H,7-10H2,1-4H3InChIKey
MZIDXLNHAAQXHZ-UHFFFAOYSA-NSynonyms
2((2hydroxy44dimethyl6oxocyclohex1en1yl)(thiophen3yl)methyl)55dimethylcyclohexane13dione
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)THIOPHEN3YLMETHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CSC=C2)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC21H26O4Sc120(2)713(22)18(14(23)820)17(1256261112)1915(24)921(34)1016(19)25h5611171824H710H214H3
MFCD07083322
ZINC000100025479
ZINC000100025481
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